R. Moradi, S. Jameh-bozorghi, A. Mahdiani
2012
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Journal
APCBEE Procedia
Abstract
The aromatic stabilization energy of (R)-5-(azetidin-2-ylmethoxy)-2-chloropyridine was investigated in this study. The ASE of (R)-5-(azetidin-2-ylmethoxy)-2-chloropyridine in the gas phase, was calculated with ab initio method base on B3LYP/6-311+G** levels of theory. The results of calculations show that ASE of compound is 375.72 Kcal/mol. The aromatic character of compound is demonstrated by their NICS values. The table 2 summarize NICS (0), (0.5), (1.0) data at the uniform GIAO-B3LYP/6-311+G** levels of theory.